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tert-Butyl piperazine-1-carboxylate → tert-Butyl 4-(6-(trifluoromethyl)pyridin-2-yl)piperazine-1-carboxylate

HRID 698
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인쇄 미리보기

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HRID 698 반응식
CC(C)(C)OC(=O)N1CCNCC1.FC(F)(F)c1cccc(Cl)n1>CC(C)(C)[O-].Cc1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Na+].[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>CC(C)(C)OC(=O)N1CCN(c2cccc(C(F)(F)F)n2)CC1
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참가 물질

7

반응물 2

HCID 143452tert-Butyl piperazine-1-carboxylateHCID 6023342-Chloro-6-(trifluoromethyl)pyridine

생성물 1

HCID 71627669tert-Butyl 4-(6-(trifluoromethyl)pyridin-2-yl)piperazine-1-carboxylate수율 51.68%

시약·촉매·용매 4

HCID 23676156Sodium t-butoxide시약HCID 634876Binap, (A+-)-촉매
HCID 9811564
Bis(dibenzylideneacetone)palladium
촉매
HCID 1140Toluene용매

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온도
105 °C

실험 절차

A 20 mL microwave vial was charged with 2-chloro-6-(trifluoromethyl)pyridine (860 mg, 4.74 mmol), rac-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl (295 mg, 0.47 mmol), Sodium tert-butoxide (546 mg, 5.68 mmol), tert-butyl piperazine-1-carboxylate (882 mg, 4.74 mmol) and a mixture of toluene (25 mL) and DMF (5 mL). The reaction mixture was degassed for 10 minutes with nitrogen, and then Tris(dibenzylideneacetone)dipalladium(0) (217 mg, 0.24 mmol) was added. The reaction mixture was stirred at 105°C in an oil bath 12h. The solution was diluted with EtOAc and washed with saturated NaHCO3 solution, brine, dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure. The crude material was loaded on a 80g silica gel column and purified on a Teledyne Isco instrument, eluting with 0% to 100% ethyl acetate in heptane to provide tert-butyl 4-(6-(trifluoromethyl)pyridin-2-yl)piperazine-1-carboxylate (811 mg, 51.7 %) as a solid.

출처 및 근거

ORD 기록
ord-7e7ab408c09a4157a27808089c5163bc
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
출처 보기

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